REMARK  Name = BDB046951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.100  -0.401   0.087  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.661   0.896   0.356  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.385   1.306  -0.049  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        0.535   0.421  -0.719  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        0.978  -0.875  -0.996  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.252  -1.281  -0.590  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.796   0.871  -1.135  0.00  0.00    +0.018 C 
ATOM      8  C   LIG    1       -1.960   0.417  -0.626  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.202   1.015  -1.192  0.00  0.00    +0.335 C 
ATOM     10  O   LIG    1       -3.174   1.865  -2.076  0.00  0.00    -0.245 OA
ATOM     11  O   LIG    1       -4.384   0.598  -0.680  0.00  0.00    -0.461 OA
ATOM     12  C   LIG    1       -4.492  -0.453   0.291  0.00  0.00    +0.233 C 
ATOM     13  C   LIG    1       -3.341  -0.426   1.266  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.057  -0.591   0.479  0.00  0.00    +0.045 C 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  C   LIG    1        5.226  -0.060   1.093  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.316  -0.926   0.427  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
TORSDOF 2